Crystallography Open Database

Information card for entry 1560013

Preview

Coordinates	1560013.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H30 N2 O4
Calculated formula	C26 H30 N2 O4
SMILES	O=C1c2c(C(=O)c3c1ccc(NC(=O)CCCCC)c3)ccc(NC(=O)CCCCC)c2
Title of publication	Aggregation-induced phosphorescence of an anthraquinone based emitter.
Authors of publication	Goudappagouda, ?; Nidhankar, Aakash D.; Nayak, Rashmi A.; Santhosh Babu, Sukumaran
Journal of publication	Organic & biomolecular chemistry
Year of publication	2021
Journal volume	19
Journal issue	5
Pages of publication	1004 - 1008
a	5.2406 ± 0.0007 Å
b	6.5334 ± 0.0008 Å
c	31.137 ± 0.004 Å
α	90°
β	91.691 ± 0.005°
γ	90°
Cell volume	1065.6 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1008
Residual factor for significantly intense reflections	0.0708
Weighted residual factors for significantly intense reflections	0.1768
Weighted residual factors for all reflections included in the refinement	0.1926
Goodness-of-fit parameter for all reflections included in the refinement	1.099
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
262709 (current)	2021-03-05	cif/ Updating files of 1560013 Original log message: Adding full bibliography for 1560013.cif.	1560013.cif
260857	2021-01-08	cif/ Adding structures of 1560013 via cif-deposit CGI script.	1560013.cif